General Information of the Compound
Compound ID
CP0432818
Compound Name
N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine
    Show/Hide
Synonyms
AC1N24LJ
AKOS001583269
BDBM50183105
CHEMBL208452
EU-0001073
N-(naphthalen-1-yl)-4-phenylthiazol-2-amine
N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine
SR-01000396392
    Show/Hide
Structure
Formula
C19H14N2S
Molecular Weight
302.402
Canonical SMILES
N(c1nc(cs1)-c1ccccc1)c1cccc2ccccc12
    Show/Hide
InChI
InChI=1S/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
    Show/Hide
InChIKey
JWZVJRBKXQFLBH-UHFFFAOYSA-N
Physicochemical Property
logP
5.7069
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
24.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4015979
ChEMBL ID
CHEMBL208452
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01508, C-C chemokine receptor type 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(naphthalen-1-yl)-4-phenylthiazol-2-amine )
Drug Name N-(naphthalen-1-yl)-4-phenylthiazol-2-amine
Target(s)
C-C chemokine receptor type 4 (CCR4)
 Target Info 
Inhibitor